1-[4-oxidanylidene-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-oxidanylidene-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-oxo-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylene]thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-oxo-5-[[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]methylidene]-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-5-[[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methylene]-2-thiazolin-2-yl]isonipecotamide Formula: C28H29N5O2S2 MolecularWeight: 531.69216

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S2/c1-2-16-36-23-10-8-19(9-11-23)25-21(18-33(31-25)22-6-4-3-5-7-22)17-24-27(35)30-28(37-24)32-14-12-20(13-15-32)26(29)34/h3-11,17-18,20H,2,12-16H2,1H3,(H2,29,34)